- InChI
- InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
- InChI Key
- IDIPWEYIBKUDNY-UHFFFAOYSA-N
- Formula
- C6H5FO2S
- SMILES
- O=S(=O)(F)c1ccccc1
- Molecular Weight1
- 160.17
- CAS
- 368-43-4
- Other Names
-
- Phenylsulfonyl fluoride
- Benzenesulphonyl fluoride
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4118 | Relay (1.0) Calculated Property | |
| ΔfG° | -551.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.345 | Crippen Calculated Property | |
| McVol | 101.500 | ml/mol | McGowan Calculated Property |
| Pc | 5462.66 | kPa | Joback Calculated Property |
| Tboil | [476.50; 480.00] | K |
|
| Tboil | 476.50 ± 0.50 | K | NIST |
| Tboil | 480.00 | K | NIST |
| Tc | 717.15 | K | Relay (1.0) Calculated Property |
| Tfus | 343.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.61; 232.32] | J/mol×K | [410.41; 607.36] |
|
| Cp,gas | 178.61 | J/mol×K | 410.41 | Joback Calculated Property |
| Cp,gas | 188.87 | J/mol×K | 443.23 | Joback Calculated Property |
| Cp,gas | 198.60 | J/mol×K | 476.06 | Joback Calculated Property |
| Cp,gas | 207.81 | J/mol×K | 508.88 | Joback Calculated Property |
| Cp,gas | 216.49 | J/mol×K | 541.71 | Joback Calculated Property |
| Cp,gas | 224.66 | J/mol×K | 574.53 | Joback Calculated Property |
| Cp,gas | 232.32 | J/mol×K | 607.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl fluoride.
Sources
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